Bis (2-nitrophenyl) sulfane

CAT: 0127-OR1048452-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1048452-01Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

22100-66-9

MDL Number

MFCD00437479

Purity

95%

Smiles

O=[N+](C1=CC=CC=C1SC2=CC=CC=C2[N+]([O-])=O)[O-]

Chemical Information

Benzene, 1,1'-thiobis[2-nitro-

CAS Number	22100-66-9
PubChem CID	363892
IUPAC Name	1-nitro-2-(2-nitrophenyl)sulfanylbenzene
Molecular Formula	C12H8N2O4S
Molecular Weight	276.27
XLogP	3.6
Topological Polar Surface Area	117
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	310

SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])SC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H8N2O4S/c15-13(16)9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)14(17)18/h1-8H

InChIKey

MXWVNAOIXKIIJK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22100-66-9

CID: 363892

Formula: C12H8N2O4S

MW: 276.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.27
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	276.02047791
Monoisotopic Mass	276.02047791
Topological Polar Surface Area	117 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	310
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1033666-01	(4-Chlorophenyl) (2-nitrophenyl) sulfane
OR1092155-01	(4-bromophenyl) (2-nitrophenyl) sulfane
OR1029571-01	Bis (4-Nitrophenyl) Sulfone
OR1096750-01	Methyl (4-methyl-2-nitrophenyl) sulfane
OR1098596-01	(5-bromo-2-nitrophenyl) (methyl) sulfane
OR1078562-01	Bis (4-nitrophenyl) Sulfide
OR1050852-01	Cyclopropyl (4-nitrophenyl) sulfane
OR1098489-01	Isopropyl (4-nitrophenyl) sulfane
OR79879-01	1,2-Bis (2-nitrophenyl) ethane
OR73215-01	1,2-Bis (2-nitrophenyl) disulfane

Catalog	Name
420301-01	(2,4-Dimethylphenyl) (2-nitrophenyl) sulfane
sc-503444	Benzyl (5-chloro-2-nitrophenyl) sulfane
AR-V01901-01	(3,5-dimethylphenyl) (2-nitrophenyl) sulfane
B233710	Benzyl(5-chloro-2-nitrophenyl)sulfane (~90%)
BAA19936-01	(4-chloro-3-nitrophenyl) (methyl) sulfane
KJB73415-01	(3-methoxy-4-nitrophenyl) (methyl) sulfane
sc-357535	(2-Bromophenyl) (2,2-difluoroethyl) sulfane
TRC-B625590-10MG	(2-Bromophenyl)(2,4-dimethylphenyl)sulfane
10353-14-7	(1-bromonaphthalen-2-yl) (methyl) sulfane
442874-01	Bis (5-Aminopyridin-2-yl) sulfane